6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine

C21H16BrN7 — CID 69324601

IUPAC6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine
SMILESNc1ncc2cc(-c3ccncc3)ccc2n1.Nc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C13H10N4.C8H6BrN3/c14-13-16-8-11-7-10(1-2-12(11)17-13)9-3-5-15-6-4-9;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-8H,(H2,14,16,17);1-4H,(H2,10,11,12)
InChIKeyOUKLSSXXQGIBAO-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.25
Rot. Bonds1

About 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine

6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine (PubChem CID 69324601) has the molecular formula C21H16BrN7 and a molecular weight of 446.31 g/mol. Its IUPAC name is 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine
PubChem CID69324601
Molecular FormulaC21H16BrN7
Molecular Weight446.31 g/mol
Exact Mass445.07
IUPAC Name6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine
SMILESNc1ncc2cc(-c3ccncc3)ccc2n1.Nc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C13H10N4.C8H6BrN3/c14-13-16-8-11-7-10(1-2-12(11)17-13)9-3-5-15-6-4-9;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-8H,(H2,14,16,17);1-4H,(H2,10,11,12)
InChIKeyOUKLSSXXQGIBAO-UHFFFAOYSA-N
XLogP4.25
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine (CID 69324601) is 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine is Nc1ncc2cc(-c3ccncc3)ccc2n1.Nc1ncc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine?
The InChIKey is OUKLSSXXQGIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.C8H6BrN3/c14-13-16-8-11-7-10(1-2-12(11)17-13)9-3-5-15-6-4-9;9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-8H,(H2,14,16,17);1-4H,(H2,10,11,12).
What are the key properties of 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine?
6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine has a molecular weight of 446.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 69324601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).